Project name: 624cc83ff90ebeb [mutate: MA1A]

Chain sequence(s)	A: MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	MA1A
Energy difference between WT (input) and mutated protein (by FoldX)	0.105228 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:37)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:48)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.756
• Maximal score value: 0.9342
• Average score: -1.5048
• Total score value: -84.2713

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	A	A	-0.4110	mutated: MA1A
2	T	A	-1.1340
3	Y	A	0.0000
4	K	A	-1.9257
5	L	A	0.0000
6	I	A	-1.1045
7	L	A	0.0000
8	N	A	-1.8630
9	G	A	-2.5349
10	K	A	-2.4393
11	T	A	-1.2559
12	L	A	-1.2995
13	K	A	-2.3528
14	G	A	-1.6746
15	E	A	-2.3466
16	T	A	-1.0699
17	T	A	-1.3618
18	T	A	0.0000
19	E	A	-1.6304
20	A	A	0.0000
21	V	A	0.9342
22	D	A	-0.4493
23	A	A	-0.8842
24	A	A	-0.7162
25	T	A	-1.0373
26	A	A	0.0000
27	E	A	-2.2883
28	K	A	-2.4909
29	V	A	-1.4032
30	F	A	0.0000
31	K	A	-2.7927
32	Q	A	-2.4278
33	Y	A	-1.3013
34	A	A	0.0000
35	N	A	-3.3372
36	D	A	-3.1475
37	N	A	-3.1119
38	G	A	-2.7777
39	V	A	0.0000
40	D	A	-3.7560
41	G	A	-3.0202
42	E	A	-2.8725
43	W	A	-1.6056
44	T	A	-0.6901
45	Y	A	-1.0621
46	D	A	-2.1992
47	D	A	-2.7168
48	A	A	-1.5672
49	T	A	-1.7086
50	K	A	-2.7171
51	T	A	-1.9846
52	F	A	0.0000
53	T	A	-0.7614
54	V	A	0.0000
55	T	A	-2.4370
56	E	A	-3.5377